%chk=000236615.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000236615

0 1
O -1.251659 0.759135 -2.382153
N 2.434298 -1.276812 0.186752
C 0.480910 -0.202999 -1.024074
C -0.974103 -0.471356 -1.591764
C 1.015848 -1.420423 -0.220330
C 0.586976 1.117647 -0.256764
C -2.038157 -0.634101 -0.491008
C -0.983057 -1.654082 -2.591434
C 3.382600 -1.446320 -0.946918
C 2.785153 -2.144990 1.342364
C 1.000081 2.287158 -0.943767
C 0.281110 1.228116 1.123488
C -2.352544 -1.893714 0.066249
C -2.722262 0.502215 -0.009992
C 4.733188 -0.741165 -0.712588
C 2.194023 -1.664503 2.681673
C 1.104569 3.529602 -0.280084
C 0.383654 2.466700 1.794325
C -3.319657 -2.012792 1.060880
C -3.691312 0.382704 0.981520
C 0.796671 3.625220 1.096920
C -3.999294 -0.875520 1.524292
H 1.093071 -0.092411 -1.941324
H 0.406770 -1.541588 0.691407
H 0.868756 -2.353414 -0.821046
H -1.981360 -1.745379 -3.059664
H -0.747951 -2.626404 -2.127696
H -0.241816 -1.462213 -3.386935
H 3.553314 -2.531219 -1.174544
H 2.919360 -1.010447 -1.850370
H 2.484544 -3.210387 1.157394
H 3.886340 -2.144707 1.432772
H -2.153260 0.663420 -2.786870
H 1.222291 2.223128 -2.015047
H -0.039338 0.346225 1.688061
H -1.842440 -2.797406 -0.284596
H -2.469403 1.483749 -0.422508
H 5.387800 -0.856545 -1.596979
H 4.567586 0.334368 -0.529041
H 5.273329 -1.155721 0.157641
H 2.479598 -0.614280 2.863804
H 1.091000 -1.728799 2.702337
H 2.575750 -2.288874 3.511106
H 1.424090 4.419484 -0.834906
H 0.141575 2.526278 2.861953
H -3.550926 -3.000166 1.476559
H -4.209202 1.278928 1.341211
H 0.879029 4.586028 1.618234
H -4.763942 -0.969663 2.303355


%chk=000236615-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000236615

0 1
O -1.251376 0.752926 -2.392919
N 2.434356 -1.273544 0.190274
C 0.485729 -0.203739 -1.035153
C -0.970981 -0.474347 -1.598132
C 1.020761 -1.421653 -0.231831
C 0.592854 1.118096 -0.270079
C -2.032581 -0.632687 -0.493148
C -0.981358 -1.660862 -2.593532
C 3.392461 -1.424394 -0.937709
C 2.779642 -2.155861 1.336987
C 0.985767 2.290547 -0.963582
C 0.306255 1.226624 1.114251
C -2.355251 -1.897975 0.065628
C -2.712632 0.513227 -0.003203
C 4.740027 -0.721095 -0.680994
C 2.172323 -1.698843 2.677330
C 1.088320 3.534364 -0.302103
C 0.406788 2.466533 1.782836
C -3.333828 -2.016005 1.078047
C -3.693551 0.396394 1.006274
C 0.798987 3.628178 1.078901
C -4.010565 -0.868720 1.551339
H 1.095030 -0.094341 -1.954486
H 0.402476 -1.551375 0.672694
H 0.885699 -2.351904 -0.839555
H -1.981422 -1.756178 -3.057269
H -0.741646 -2.630919 -2.127449
H -0.244125 -1.470247 -3.393043
H 3.566301 -2.505525 -1.180503
H 2.936784 -0.975010 -1.838347
H 2.487585 -3.220365 1.133858
H 3.879853 -2.150108 1.438003
H -2.157449 0.659198 -2.787168
H 1.193236 2.227588 -2.037807
H 0.003490 0.341620 1.683479
H -1.851275 -2.803378 -0.289954
H -2.455126 1.493711 -0.415035
H 5.400676 -0.817279 -1.563215
H 4.570344 0.350345 -0.477852
H 5.276034 -1.151069 0.184310
H 2.449443 -0.649788 2.878386
H 1.069569 -1.770457 2.686566
H 2.550046 -2.333068 3.501092
H 1.391992 4.426694 -0.861865
H 0.179788 2.524678 2.853868
H -3.569807 -3.003063 1.492057
H -4.204814 1.294892 1.370182
H 0.879972 4.590079 1.598432
H -4.773201 -0.960191 2.333034


